N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H23N5OS2 MolecularWeight: 473.61302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N5OS2/c1-2-22-27-28-25(33-17-18-9-5-3-6-10-18)30(22)29-24(32)26-23(31)21-15-13-20(14-16-21)19-11-7-4-8-12-19/h3-16H,2,17H2,1H3,(H2,26,29,31,32)